N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide

C13H17FN4O2 — CID 57387770

IUPACN-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C13H17FN4O2/c14-10-8-16-13(18-3-5-20-6-4-18)17-11(10)12(19)15-7-9-1-2-9/h8-9H,1-7H2,(H,15,19)
InChIKeyGVCHVAMEZJNXGA-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.59
Rot. Bonds4

About N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 57387770) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID57387770
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC NameN-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C13H17FN4O2/c14-10-8-16-13(18-3-5-20-6-4-18)17-11(10)12(19)15-7-9-1-2-9/h8-9H,1-7H2,(H,15,19)
InChIKeyGVCHVAMEZJNXGA-UHFFFAOYSA-N
XLogP0.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 57387770) is N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide is O=C(NCC1CC1)c1nc(N2CCOCC2)ncc1F.
What is the InChIKey of N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is GVCHVAMEZJNXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c14-10-8-16-13(18-3-5-20-6-4-18)17-11(10)12(19)15-7-9-1-2-9/h8-9H,1-7H2,(H,15,19).
What are the key properties of N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-fluoro-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 57387770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).